2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol

C10H12F3NO2S — CID 61075891

IUPAC2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol
SMILESOCCOCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)8-1-2-9(14-7-8)17-6-5-16-4-3-15/h1-2,7,15H,3-6H2
InChIKeyBIBXAFHDDOGHMC-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.20
Rot. Bonds6

About 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol

2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol (PubChem CID 61075891) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol
PubChem CID61075891
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol
SMILESOCCOCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)8-1-2-9(14-7-8)17-6-5-16-4-3-15/h1-2,7,15H,3-6H2
InChIKeyBIBXAFHDDOGHMC-UHFFFAOYSA-N
XLogP2.20
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]aniline
CID 43366312
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanal
CID 14347987
2-[2-(3-bromophenoxy)ethylsulfanyl]-5-(trifluoromethyl)pyridine
CID 60639178
2-(cyclopropylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol
CID 64805558
2,2-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoic acid
CID 65253161
2-amino-2-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentan-1-ol
CID 106810911
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-amine
CID 62579002
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine
CID 62577316
2-(2-pyrazin-2-ylsulfanylethoxy)ethanol
CID 63380720
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide
CID 55212515
N-[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butyl]cyclopropanamine
CID 62578799
2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol
CID 61076775

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol (CID 61075891) is 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol is OCCOCCSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol?
The InChIKey is BIBXAFHDDOGHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c11-10(12,13)8-1-2-9(14-7-8)17-6-5-16-4-3-15/h1-2,7,15H,3-6H2.
What are the key properties of 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol?
2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol has a molecular weight of 267.27 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol is sourced from PubChem (CID 61075891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).